(4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol

C14H26N4O2 — CID 95713917

IUPAC(4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol
SMILESCC(C)c1nc(N2CCC[C@](O)(CN(C)C)CC2)no1
InChIInChI=1S/C14H26N4O2/c1-11(2)12-15-13(16-20-12)18-8-5-6-14(19,7-9-18)10-17(3)4/h11,19H,5-10H2,1-4H3/t14-/m1/s1
InChIKeyJTELDSFXBJLINZ-CQSZACIVSA-N
MW282.39 g/mol
LogP1.48
Rot. Bonds4

About (4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol

(4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol (PubChem CID 95713917) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is (4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol.

Molecular Properties

Compound Name(4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol
PubChem CID95713917
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name(4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol
SMILESCC(C)c1nc(N2CCC[C@](O)(CN(C)C)CC2)no1
InChIInChI=1S/C14H26N4O2/c1-11(2)12-15-13(16-20-12)18-8-5-6-14(19,7-9-18)10-17(3)4/h11,19H,5-10H2,1-4H3/t14-/m1/s1
InChIKeyJTELDSFXBJLINZ-CQSZACIVSA-N
XLogP1.48
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol with MolForge

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Related Compounds

(4S)-4-[(dimethylamino)methyl]-1-(3-phenyl-1,2,4-oxadiazol-5-yl)azepan-4-ol
CID 95726878
(4S)-4-[(dimethylamino)methyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol
CID 95729864
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 116808746
3-(4-tert-butylpiperazin-1-yl)-5-propan-2-yl-1,2,4-oxadiazole
CID 160629261
(4S)-4-[(dimethylamino)methyl]-1-(5-propyl-1,3,4-oxadiazol-2-yl)azepan-4-ol
CID 97195500
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 116808910
1-amino-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116806822
(1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 130563986
2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807285
(1S)-1-[3-(3,3-difluoropiperidin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 166099605
N-methyl-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methanamine;hydrochloride
CID 154907905
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527510

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol?
The IUPAC name of (4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol (CID 95713917) is (4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol.
What is the SMILES notation for (4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol?
The canonical SMILES for (4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol is CC(C)c1nc(N2CCC[C@](O)(CN(C)C)CC2)no1.
What is the InChIKey of (4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol?
The InChIKey is JTELDSFXBJLINZ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-11(2)12-15-13(16-20-12)18-8-5-6-14(19,7-9-18)10-17(3)4/h11,19H,5-10H2,1-4H3/t14-/m1/s1.
What are the key properties of (4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol?
(4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol has a molecular weight of 282.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(dimethylamino)methyl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-4-ol is sourced from PubChem (CID 95713917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).